AB00681371-01
TL;DR: AB00681371-01 (CAS 899995-32-5) is a chemical compound with molecular formula C14H12ClFN4O2 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: AB00681371-01, F2746-0141, 5-[(2-Chloro-6-fluorophenyl)methyl]-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 5-[(2-chloro-6-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-one, 5-(2-chloro-6-fluorobenzyl)-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
| Molecular Formula | C14H12ClFN4O2 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 1.4261 |
| Topological Polar Surface Area | 72.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0633 |
| Heavy Atoms | 22 |
| Complexity | 869.9205 |
Chemical Identifiers
| CAS Number | 899995-32-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(C2=O)C=NN3CCO)F |
Product Overview
AB00681371-01 (CAS 899995-32-5), with molecular formula C14H12ClFN4O2 and molecular weight 322.06 g/mol. IUPAC: 5-[(2-chloro-6-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of AB00681371-01
Property Insights of AB00681371-01
The XLogP value of 1.4261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681371-01. The TPSA of 72.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681371-01. Following Lipinski's Rule of Five, AB00681371-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00681371-01?
The CAS number of AB00681371-01 is 899995-32-5.
What is the molecular formula of AB00681371-01?
The molecular formula of AB00681371-01 is C14H12ClFN4O2.
What is the molecular weight of AB00681371-01?
The molecular weight of AB00681371-01 is 322.06 g/mol.
Where can I buy AB00681371-01?
You can request a quote for AB00681371-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681371-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681371-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.